1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea

C15H21FN4O4S2 — CID 7978046

IUPAC1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H21FN4O4S2/c1-10(2)17-15(25)19-18-14(21)11-3-4-12(16)13(9-11)26(22,23)20-5-7-24-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,18,21)(H2,17,19,25)
InChIKeyROAOZVXDRKNVLH-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.36
Rot. Bonds4

About 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea

1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea (PubChem CID 7978046) has the molecular formula C15H21FN4O4S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea
PubChem CID7978046
Molecular FormulaC15H21FN4O4S2
Molecular Weight404.49 g/mol
Exact Mass404.10
IUPAC Name1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H21FN4O4S2/c1-10(2)17-15(25)19-18-14(21)11-3-4-12(16)13(9-11)26(22,23)20-5-7-24-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,18,21)(H2,17,19,25)
InChIKeyROAOZVXDRKNVLH-UHFFFAOYSA-N
XLogP0.36
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Morpholine-4-sulfonyl)benzohydrazide
CID 877246
1-(3-Methoxypropyl)-3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiourea
CID 3169069
N-(2-ethylpiperidine-1-carbothioyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 3919415
1-[(3-Morpholin-4-ylsulfonylbenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4311920
1-[(4-Morpholin-4-ylsulfonylbenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 3169071
N'-(2-fluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2108387
methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate
CID 2095257
2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 17464821
4-fluoro-N-isopropyl-3-(4-morpholinylsulfonyl)benzamide
CID 42562638
N-(sec-butyl)-4-fluoro-3-(4-morpholinylsulfonyl)benzamide
CID 45595630
1-[(2-Fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8625156
1-[(2-Fluorobenzoyl)amino]-3-(4-morpholin-4-ylbutyl)thiourea
CID 141195912

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea?
The IUPAC name of 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea (CID 7978046) is 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea is CC(C)NC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea?
The InChIKey is ROAOZVXDRKNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O4S2/c1-10(2)17-15(25)19-18-14(21)11-3-4-12(16)13(9-11)26(22,23)20-5-7-24-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,18,21)(H2,17,19,25).
What are the key properties of 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea?
1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea has a molecular weight of 404.49 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-propan-2-ylthiourea is sourced from PubChem (CID 7978046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).